N-ethyl-1-phenylsulfanylhex-5-yn-2-amine

C14H19NS — CID 65143383

IUPACN-ethyl-1-phenylsulfanylhex-5-yn-2-amine
SMILESC#CCCC(CSc1ccccc1)NCC
InChIInChI=1S/C14H19NS/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h1,6-8,10-11,13,15H,4-5,9,12H2,2H3
InChIKeyFVUVHAIOMYSMFT-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.17
Rot. Bonds7

About N-ethyl-1-phenylsulfanylhex-5-yn-2-amine

N-ethyl-1-phenylsulfanylhex-5-yn-2-amine (PubChem CID 65143383) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-1-phenylsulfanylhex-5-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenylsulfanylhex-5-yn-2-amine
PubChem CID65143383
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-ethyl-1-phenylsulfanylhex-5-yn-2-amine
SMILESC#CCCC(CSc1ccccc1)NCC
InChIInChI=1S/C14H19NS/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h1,6-8,10-11,13,15H,4-5,9,12H2,2H3
InChIKeyFVUVHAIOMYSMFT-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-1-phenylsulfanylhex-5-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
CID 66073273
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
1-tert-butylsulfanyl-N-ethylhex-5-yn-2-amine
CID 65133064
1-(3-bromophenyl)sulfanyl-N-ethylhept-5-yn-2-amine
CID 104806304
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenylsulfanylhex-5-yn-2-amine?
The IUPAC name of N-ethyl-1-phenylsulfanylhex-5-yn-2-amine (CID 65143383) is N-ethyl-1-phenylsulfanylhex-5-yn-2-amine.
What is the SMILES notation for N-ethyl-1-phenylsulfanylhex-5-yn-2-amine?
The canonical SMILES for N-ethyl-1-phenylsulfanylhex-5-yn-2-amine is C#CCCC(CSc1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-phenylsulfanylhex-5-yn-2-amine?
The InChIKey is FVUVHAIOMYSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h1,6-8,10-11,13,15H,4-5,9,12H2,2H3.
What are the key properties of N-ethyl-1-phenylsulfanylhex-5-yn-2-amine?
N-ethyl-1-phenylsulfanylhex-5-yn-2-amine has a molecular weight of 233.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenylsulfanylhex-5-yn-2-amine is sourced from PubChem (CID 65143383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).